Information card for entry 7150286

Structure parameters

• Common name: 1-(4-Pyrrolidino)-(2,3,5,6-tetrachloropyridin-4-yl)- pyridinium tetrafluoroborate
• Chemical name: 1-(4-Pyrrolidino)-[2,3,5,6-tetrachloropyridin-4-yl]-pyridinium tetrafluoroborate
• Formula: C14 H12 B Cl4 F4 N3
• Calculated formula: C14 H12 B Cl4 F4 N3
• Title of publication: From uncharged to decacationic molecules: syntheses and spectroscopic properties of heteroarenium-substituted pyridines.
• Authors of publication: Schmidt, Andreas; Mordhorst, Thorsten; Nieger, Martin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 20
• Pages of publication: 3788 - 3793
• a: 7.7703 ± 0.0001 Å
• b: 20.6759 ± 0.0003 Å
• c: 11.1315 ± 0.0002 Å
• α: 90°
• β: 95.594 ± 0.001°
• γ: 90°
• Cell volume: 1779.85 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No